1-propan-2-ylspiro[2H-indole-3,4'-oxane]

C15H21NO — CID 146604363

IUPAC1-propan-2-ylspiro[2H-indole-3,4'-oxane]
SMILESCC(C)N1CC2(CCOCC2)c2ccccc21
InChIInChI=1S/C15H21NO/c1-12(2)16-11-15(7-9-17-10-8-15)13-5-3-4-6-14(13)16/h3-6,12H,7-11H2,1-2H3
InChIKeyFQLHCOYUNLVCSG-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.96
Rot. Bonds1

About 1-propan-2-ylspiro[2H-indole-3,4'-oxane]

1-propan-2-ylspiro[2H-indole-3,4'-oxane] (PubChem CID 146604363) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-propan-2-ylspiro[2H-indole-3,4'-oxane].

Molecular Properties

Compound Name1-propan-2-ylspiro[2H-indole-3,4'-oxane]
PubChem CID146604363
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-propan-2-ylspiro[2H-indole-3,4'-oxane]
SMILESCC(C)N1CC2(CCOCC2)c2ccccc21
InChIInChI=1S/C15H21NO/c1-12(2)16-11-15(7-9-17-10-8-15)13-5-3-4-6-14(13)16/h3-6,12H,7-11H2,1-2H3
InChIKeyFQLHCOYUNLVCSG-UHFFFAOYSA-N
XLogP2.96
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-propan-2-ylspiro[2H-indole-3,4'-oxane] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-propan-2-ylspiro[2H-indole-3,3'-piperidine];hydrochloride
CID 70110226
6-bromo-1-(3-methylbutan-2-yl)spiro[2H-indole-3,4'-oxane]
CID 155152990
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-spiro[2H-indole-3,4'-oxane]-1-ylethanone
CID 126809281
ethane;(3-methyl-2H-imidazol-1-yl)-spiro[2H-indole-3,4'-oxane]-1-ylmethanone
CID 145172083
1-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]spiro[2H-indole-3,4'-oxane]
CID 124625116
(3-methylimidazol-3-ium-1-yl)-spiro[2H-indole-3,4'-oxane]-1-ylmethanone
CID 122616488
2,4-dichloro-6-spiro[2H-indole-3,4'-oxane]-1-ylsulfonylphenol
CID 146604362
(2S,3S)-3-phenyl-3-spiro[2H-indole-3,1'-cyclopropane]-1-ylpropane-1,2-diol
CID 151564587
1-(oxan-4-ylsulfonyl)spiro[2H-indole-3,1'-cyclopropane]
CID 56794326
1-chlorospiro[2H-indole-3,1'-cyclopropane]
CID 175936694
[(1R)-cyclohex-3-en-1-yl]-spiro[2H-indole-3,4'-oxane]-1-ylmethanone
CID 99829191
5,7-dimethyl-1'-propan-2-ylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,3'-2H-indole]-6-one
CID 5094874

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylspiro[2H-indole-3,4'-oxane]?
The IUPAC name of 1-propan-2-ylspiro[2H-indole-3,4'-oxane] (CID 146604363) is 1-propan-2-ylspiro[2H-indole-3,4'-oxane].
What is the SMILES notation for 1-propan-2-ylspiro[2H-indole-3,4'-oxane]?
The canonical SMILES for 1-propan-2-ylspiro[2H-indole-3,4'-oxane] is CC(C)N1CC2(CCOCC2)c2ccccc21.
What is the InChIKey of 1-propan-2-ylspiro[2H-indole-3,4'-oxane]?
The InChIKey is FQLHCOYUNLVCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-12(2)16-11-15(7-9-17-10-8-15)13-5-3-4-6-14(13)16/h3-6,12H,7-11H2,1-2H3.
What are the key properties of 1-propan-2-ylspiro[2H-indole-3,4'-oxane]?
1-propan-2-ylspiro[2H-indole-3,4'-oxane] has a molecular weight of 231.34 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylspiro[2H-indole-3,4'-oxane] is sourced from PubChem (CID 146604363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).